Methyl 4-[2-(4-methoxycarbonylanilino)ethylamino]benzoate
Basic information
- CAS
6968-79-2- Standard SMILES
COC(=O)c1ccc(NCCNc2ccc(C(=O)OC)cc2)cc1- InChIKey
NJMVCILNSUKFPF-UHFFFAOYSA-N- Molecular formula
- C18H20N2O4
- Average molar mass
- 328.4 g/mol
- Monoisotopic mass
- 328.14230712
Names & identifiers
- Preferred name
- Methyl 4-[2-(4-methoxycarbonylanilino)ethylamino]benzoate
- IUPAC
- methyl 4-[2-(4-methoxycarbonylanilino)ethylamino]benzoate
Names & synonyms
6968-79-2NSC66260DTXSID00989841NSC-66260Dimethyl 4,4'-(ethane-1,2-diyldiazanediyl)dibenzoateDimethyl 4,4'-[ethane-1,2-diylbis(azanediyl)]dibenzoate
Database identifiers
- CAS
6968-79-2- PubChem CID
- 248804
- DTXSID
DTXSID00989841
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 76.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 362
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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